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4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 4-nitro-benzene-sulfonate.

ABSTRACT: The asymmetric unit of the title salt, C(16)H(19)N(2) (+). C(6)H(4)NO(5)S(-), consists of two cations and two anions. The crystal structure is stabilized by ?-? inter-actions between the pyridyl and phenyl rings of the cations, with a centroid-centroid distance of 3.7323?(6)?Å.

SUBMITTER: Li L

PROVIDER: S-EPMC3343963 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 2-amino-3,5-dimethyl-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title compound, C(16)H(19)N(2) (+)·C(8)H(10)NO(3)S(-)·H(2)O, the cations and anions are linked by O-H?O and N-H?O hydrogen bonds, forming alternating layers parallel to the ac plane. An intra-molecular N-H?O hydrogen bond occurs in the anion. The crystal structure is further stabilized by ?-? inter-actions, with centroid-centroid distances of 3.7240?(9) and 3.6803?(8)?Å.

1000-01-01 | S-EPMC3275184 | BioStudies

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 3,5-dicarb-oxy-benzene-sulfonate methanol monosolvate.

Project description:In the crystal structure of the title solvated salt, C(16)H(19)N(2) (+)·C(8)H(5)O(7)S(-)·CH(3)OH, the anions and the methanol solvent mol-ecules are linked by O-H?O hydrogen bonds. The cations and anions are packed as alternate layers parallel to (11[Formula: see text]). The crystal structure is further stabilized by a ?-? inter-action between the pyridinium and benzene rings of the cations, with a centroid-centroid distance of 3.5492?(4)?Å.

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2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(16)H(15)N(2) (+)·C(6)H(4)BrO(3)S(-), the cation exists in the E configuration and is essentially planar with a dihedral angle of 3.10?(5)° between the pyridinium ring and the indole ring system. The ?-conjugated planes of the cation and the anion are inclined to each other at a dihedral angle of 64.32?(4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The anions are linked into a chain along the a axis. The cations and the anions are linked into a three-dimensional network by N-H?O and weak C-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?? inter-actions. A ?-? inter-action between the five-membered heterocyclic ring of the indole system and the pyridinium ring is also observed with a centroid-centroid distance of 3.5855?(7)?Å.

2009-01-01 | S-EPMC2977651 | BioStudies

2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

Project description:In the title compound, C(16)H(15)N(2) (+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the central C=C bond and is approximately planar, with a dihedral angle of 2.95?(5)° between the pyridinium and indole rings. The mean plane of the ?-conjugated system of the cation and the benzene ring of the anion are inclined to each other at a dihedral angle of 69.65?(4)°. In the crystal packing, the cations are stacked in an anti-parallel manner along the a axis, resulting in a ?-? inter-action with a centroid-centroid distance of 3.5889?(7)?Å. The anions are linked into a chain along the a axis by weak C-H?O inter-actions. The cations are linked with the anions into a three-dimensional network by N-H?O hydrogen bonds and weak C-H?O inter-actions. There are also short O?Cl [3.1272?(10)?Å] and C?O [3.1432?(14)-3.3753?(14)?Å] contacts. The crystal structure is further stabilized by C-H?? inter-actions.

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2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate monohydrate.

Project description:In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(-)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5?(2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (100), with ?-? inter-actions between pyridinium and benzene rings [centroid-centroid distances = 3.651?(3) and 3.613?(3)?Å]. The anions and water mol-ecules are located between the cationic layers. The ions and water mol-ecules are linked into a three-dimensional framework by O-H?O and C-H?O hydrogen bonds.

1000-01-01 | S-EPMC2979781 | BioStudies

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

Project description:In the title salt, C(14)H(13)ClN(+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the ethynyl bond and is approximately planar, with a dihedral angle of 3.4?(2)° between the pyridinium and benzene rings. The anion is approximately perpendicular to the cation plane, the benzene ring of the anion making dihedral angles of 89.4?(2) and 89.9?(2)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal structure, the cations are linked into a chain along the c axis by C-H?Cl inter-actions. The anions are linked to the adjacent cation chains by C-H?O and C-H?Cl inter-actions, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by C-H?? inter-actions. A ?-? inter-action is also observed between the pyridinium ring and the benzene ring of the cation with a centroid-centroid distance of 3.668?(3)?Å.

1000-01-01 | S-EPMC2969486 | BioStudies

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 2,4,6-trimethyl-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title organic salt, C(16)H(19)N(2) (+)·C(9)H(11)O(3)S(-)·H(2)O, the cations pack head-to-tail within a sheet and are aligned in opposite directions in neighboring sheets. The benzene ring of the anion makes an angle of 76.99?(6)° with the plane of the cationic chromophore. The cations are situated in the ab plane, whereas the benzene rings of the anions lie in the ac plane.

1000-01-01 | S-EPMC3099972 | BioStudies

(E)-2-[4-(Dimethyl-amino)-styr-yl]-1-methyl-pyridinium 4-methyl-benzene-sulfonate monohydrate.

Project description:The cation of the title compound, C(16)H(19)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, exists in the E configuration with respect to the C=C double bond and is essentially planar, the dihedral angle between the pyridinium and benzene rings being 3.55?(13)°. In the crystal, ?-conjugated planes of cations and anions are inclined to each other at 84.30?(11)°. The crystal structure is stabilized by O-H?O hydrogen bonds and weak C-H?O inter-actions, which link the cations, anions and water mol-ecules into chains along the b axis. These chains are stacked along the a axis by ?-? inter-actions with centroid-centroid distances of 3.6032?(16) and 3.6462?(16)?Å.

1000-01-01 | S-EPMC3007387 | BioStudies

2-[(E)-2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate.

Project description:In the title compound, C(16)H(18)NO(+)·C(6)H(4)ClO(3)S(-)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 9.85?(5)° between the pyridinium and the benzene rings. The anion is inclined to the cation with the dihedral angles between the benzene ring of the anion and the pyridinium and benzene rings of the cation of 78.33?(6) and 68.73?(6)°, respectively. In the crystal, the cations and anions are arranged alternately into head-to-head ribbons along the c axis, with the cationic ribbons stacked along the b axis. The crystal is consolidated by O-H?O hydrogen bonds, weak C-H?O and C-H?? inter-actions. ?-? inter-actions with centroid-centroid distances of 3.6111?(7) and 3.6466?(7)?Å are also observed.

2011-01-01 | S-EPMC3051682 | BioStudies

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